General Information of the Compound
| Compound ID |
CP0550034
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(oxan-2-ylmethyl)-5-(thiophen-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H18N6OS
|
||||||||||||||||||
| Molecular Weight |
330.417
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(Cc2ccsc2)nc2n(CC3CCCCO3)nnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H18N6OS/c16-14-13-15(18-12(17-14)7-10-4-6-23-9-10)21(20-19-13)8-11-3-1-2-5-22-11/h4,6,9,11H,1-3,5,7-8H2,(H2,16,17,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GSXGVQAFYRIVCG-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound